3-chloro-N,N-dimethylpropane-1-amine hydrochloride

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Also known as: 5407-04-5, 3-chloro-n,n-dimethylpropan-1-amine hydrochloride, 3-dimethylaminopropyl chloride hydrochloride, 3-(dimethylamino)propyl chloride hydrochloride, Dimethylaminopropyl chloride hydrochloride, N,n-dimethyl-3-chloropropylamine hydrochloride

Molecular Formula

C₅H₁₃Cl₂N

Molecular Weight

158.07 g/mol

InChI Key

LJQNMDZRCXJETK-UHFFFAOYSA-N

FDA UNII

4031FU3Q6G

1 2D Structure

CAS 5407-04-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-chloro-N,N-dimethylpropan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H

2.1.3 InChI Key

LJQNMDZRCXJETK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCCCl.Cl

2.2 Other Identifiers

2.2.1 UNII

4031FU3Q6G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dimethylaminopropyl Chloride

2. Dimethylaminopropyl Chloride Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 5407-04-5

2. 3-chloro-n,n-dimethylpropan-1-amine Hydrochloride

3. 3-dimethylaminopropyl Chloride Hydrochloride

4. 3-(dimethylamino)propyl Chloride Hydrochloride

5. Dimethylaminopropyl Chloride Hydrochloride

6. N,n-dimethyl-3-chloropropylamine Hydrochloride

7. 3-chloro-n,n-dimethylpropylamine Hydrochloride

8. 1281-00-1

9. Mfcd00012521

10. Dimethylaminopropyl Chloride, Hydrochloride

11. (3-chloropropyl)dimethylamine Hydrochloride

12. 1-chloro-3-(dimethylamino)propane Hydrochloride

13. 3-(dimethylamino)chloropropane Hydrochloride

14. Beta-dimethylaminopropylchloride Hydrochloride

15. 3-dimethylamino-1-propyl Chloride Hydrochloride

16. 4031fu3q6g

17. 3-(dimethylamino)-1-propyl Chloride Hydrochloride

18. 3-chloro-n',n'-dimethylaminopropane Hydrochloride

19. 3-chloro-n,n-dimethyl-1-propanamine Hydrochloride

20. 3-chloro-n,n-dimethylpropan-1-amine;hydrochloride

21. Nsc-5368

22. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride (1:1)

23. 3-dimethylaminopropylchloride

24. Ccris 7054

25. 3-chloro-n,n-dimethyl-d6-propylamine Hcl

26. 3-chloropropyldimethylammonium Chloride

27. Nsc 5368

28. Einecs 226-467-2

29. 1219799-04-8

30. Stearylcitratemono

31. Ai3-26681

32. 1-chloro-3-dimethylaminopropane Hydrochloride

33. Dsstox_cid_2227

34. Schembl9801

35. Dsstox_rid_76526

36. Dsstox_gsid_22227

37. 3-chloro-n,n-dimethyl-1-propylamine Hydrochloride

38. 3-chloro-n,n-dimethyl-propan-1-amine Hydrochloride

39. Me2n-(ch2)3-cl.hcl

40. Unii-4031fu3q6g

41. Propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

42. 1-propanamine, 3-chloro-n,n-dimethyl-, Hydrochloride

43. 1-propylamine, 3-chloro-n,n-dimethyl-, Hydrochloride

44. Dimethylaminopropyl Chloride Hcl

45. Chembl1362069

46. Dtxsid5022227

47. Nsc5368

48. 3-dimethylaminopropyl Chloride Hcl

49. Tox21_201208

50. Ac-360

51. Ac7814

52. Akos015846044

53. Am90218

54. Cs-w019575

55. Dimethylaminopropylchloride Hydrochloride

56. 3-chloropropyldimethylamine Hydrochloride

57. (3-chloropropyl)dimethylammonium Chloride

58. Ncgc00091536-01

59. Ncgc00258760-01

60. 3-chloro-n,n-dimethylpropan-1-amine Hcl

61. 3-dimethylaminopropylchloride-hydrochloride

62. 3dimethylaminopropyl Chloride Hydrochloride

63. Sy006370

64. 3-dimethyaminopropyl Chloride Hydrochloride

65. Cas-5407-04-5

66. 1-dimethylamino-3-chloropropane Hydrochloride

67. 3-dimethylamino-1-chloropropane Hydrochloride

68. 3-dimethylamino-propyl Chloride Hydrochloride

69. D0663

70. Ft-0615608

71. (3-chloro-propyl)-dimethylamine Hydrochloride

72. (3chloro-propyl)-dimethyl-amine Hydrochloride

73. 1-chloro-3-dimethylamino-propane Hydrochloride

74. 3-dimethylamino-1-propylchloride Hydrochloride

75. (3-chloro-propyl)-dimethyl-amine Hydrochloride

76. 3-(dimethylamino)-1-chloropropane Hydrochloride

77. 3-[dimethylamino]-propyl Chloride Hydrochloride

78. 3-chloro-n,n-dimethylpropan-1-aminium Chloride

79. 3-chloro-n,n-dimethylpropanamine, Hydrochloride

80. D77998

81. Ec 226-467-2

82. N,n-dimethylamino-3-chloropropane Hydrochloride

83. 1-chloro-3-(dimethylamino) Propane Hydrochloride

84. 3-chloro-n,n-dimethylpropan-1-aminehydrochloride

85. N,n-dimethyl-3-aminopropyl Chloride Hydrochloride

86. 3-(n,n-dimethylamino)propylchloride Hydrochloride

87. A904586

88. 3-chloro-n,n-dimethylpropanamine, Monohydrochloride

89. 3-chloro-n,n-dimethylpropane-1-amine Hydrochloride

90. N,n-dimethyl-n-(3-chloropropyl)amine Hydrochloride

91. N-(3-chloropropyl)-n,n-dimethylamine Hydrochloride

92. Q-200374

93. 3-dimethylamino-1-propyl Chloride Hydrochloride, 96%

94. Q27258279

95. F0001-1419

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₃Cl₂N
Molecular Weight	158.07 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	157.0425048 g/mol
Monoisotopic Mass	157.0425048 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	37.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2